3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine

C10H18FN3 — CID 115021735

IUPAC3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine
SMILESCC(C)(C)n1ncc(CCCN)c1F
InChIInChI=1S/C10H18FN3/c1-10(2,3)14-9(11)8(7-13-14)5-4-6-12/h7H,4-6,12H2,1-3H3
InChIKeyHEOJAWKMJKCTLO-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.67
Rot. Bonds3

About 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine

3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine (PubChem CID 115021735) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine
PubChem CID115021735
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine
SMILESCC(C)(C)n1ncc(CCCN)c1F
InChIInChI=1S/C10H18FN3/c1-10(2,3)14-9(11)8(7-13-14)5-4-6-12/h7H,4-6,12H2,1-3H3
InChIKeyHEOJAWKMJKCTLO-UHFFFAOYSA-N
XLogP1.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine (CID 115021735) is 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine is CC(C)(C)n1ncc(CCCN)c1F.
What is the InChIKey of 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine?
The InChIKey is HEOJAWKMJKCTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-10(2,3)14-9(11)8(7-13-14)5-4-6-12/h7H,4-6,12H2,1-3H3.
What are the key properties of 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine?
3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-5-fluoropyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115021735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).